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87T

87T
Name:	N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide
Formula:	C20 H19 N5 O2
SMILES:	O=C(Nc4ccc(Oc2ccc3ncc(c1cn(nc1)C)c3c2)cc4)CN
InChi:	InChI=1S/C20H19N5O2/c1-25-12-13(10-23-25)18-11-22-19-7-6-16(8-17(18)19)27-15-4-2-14(3-5-15)24-20(26)9-21/h2-8,10-12,22H,9,21H2,1H3,(H,24,26)
Definition date:	2015-02-27
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide

BBI

BBI
Name:	(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
Formula:	C25 H29 I2 N O3
SMILES:	Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c3ccccc3oc2CCCC
InChi:	InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
Definition date:	2014-01-17
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone

62Y

62Y
Name:	3-bromophenyl hydrogen (S)-phenylphosphonate
Formula:	C12 H10 Br O3 P
SMILES:	Brc2cc(OP(=O)(O)c1ccccc1)ccc2
InChi:	InChI=1S/C12H10BrO3P/c13-10-5-4-6-11(9-10)16-17(14,15)12-7-2-1-3-8-12/h1-9H,(H,14,15)
Definition date:	2014-04-08
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	3-bromophenyl hydrogen (S)-phenylphosphonate

DYK

DYK
Name:	N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
Formula:	C24 H26 N6 O2
SMILES:	O(c4ccc(Nc3nc(c2c1ccncc1nc2)ccn3)c(OC)c4)C5CCN(C)CC5
InChi:	InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)
Definition date:	2014-05-13
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

8R2

8R2
Name:	(2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide
Formula:	C18 H17 N5 O3
SMILES:	O=C(Nc3ccc(Oc1cc2c(cc1)nc(c2C#N)N)cc3)C(N)CO
InChi:	InChI=1S/C18H17N5O3/c19-8-14-13-7-12(5-6-16(13)23-17(14)21)26-11-3-1-10(2-4-11)22-18(25)15(20)9-24/h1-7,15,23-24H,9,20-21H2,(H,22,25)/t15-/m0/s1
Definition date:	2015-02-27
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	N-{4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl}-L-serinamide

8V1

8V1
Name:	(2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE
Formula:	C24 H25 N5 O2
SMILES:	O=C(Nc4ccc(Oc2ccc3n(cc(c1cn(nc1)C)c3c2)C)cc4)C5NCCC5
InChi:	InChI=1S/C24H25N5O2/c1-28-15-21(16-13-26-29(2)14-16)20-12-19(9-10-23(20)28)31-18-7-5-17(6-8-18)27-24(30)22-4-3-11-25-22/h5-10,12-15,22,25H,3-4,11H2,1-2H3,(H,27,30)/t22-/m0/s1
Definition date:	2015-02-27
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	N-(4-{[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)-L-prolinamide

49K

49K
Name:	N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine
Formula:	C13 H17 F N4
SMILES:	Fc2ccc(c1c(cnn1)CN(C)CCN)cc2
InChi:	InChI=1S/C13H17FN4/c1-18(7-6-15)9-11-8-16-17-13(11)10-2-4-12(14)5-3-10/h2-5,8H,6-7,9,15H2,1H3,(H,16,17)
Definition date:	2015-02-17
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine

49L

49L
Name:	N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine
Formula:	C25 H38 N4 O3
SMILES:	O(CCC1CCOCC1)C4CC(Oc3ccc(c2nncc2CN(CCNC)C)cc3)C4
InChi:	InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)/t23-,24-
Definition date:	2015-02-17
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine

4K8

4K8
Name:	isoquinoline-3-carboxylic acid
Formula:	C10 H7 N O2
SMILES:	c2c1c(cc(C(O)=O)nc1)ccc2
InChi:	InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)
Definition date:	2015-03-26
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	isoquinoline-3-carboxylic acid

4KP

4KP
Name:	8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine
Formula:	C36 H35 I N5 O2 P S
SMILES:	c1(ncnc2c1nc(n2CCCCCCP(c3ccccc3)(c4ccccc4)c5ccccc5)Sc6c(cc7c(c6)OCO7)I)N
InChi:	InChI=1S/C36H35IN5O2PS/c37-29-22-30-31(44-25-43-30)23-32(29)46-36-41-33-34(38)39-24-40-35(33)42(36)20-12-1-2-13-21-45(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19,22-24,45H,1-2,12-13,20-21,25H2,(H2,38,39,40)
Definition date:	2015-04-01
Last modified:	2015-04-17
Release date:	2015-04-22
Identifier:	8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine

T5K

T5K
Name:	[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C24 H35 N4 O19 P3
SMILES:	CC1C(C(C(C(O1)OP(OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O)(=O)O)O)O)N=Cc4c(cnc(C)c4O)COP(O)(O)=O
InChi:	InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)20(31)18(12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20+,21-,23-/m1/s1
Definition date:	2014-09-17
Last modified:	2015-04-15
Release date:	2014-09-24
Identifier:	(2R,3R,4S,5R,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

3YQ

3YQ
Name:	{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
Formula:	C7 H12 N2 O6 P2
SMILES:	O=P(O)(O)C(Nc1ncccc1C)P(=O)(O)O
InChi:	InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Definition date:	2014-12-11
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)

3ZC

3ZC
Name:	6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide
Formula:	C26 H25 N3 O4
SMILES:	O=C(NC)c5cccc4cc(Oc2c3cc(OC)c(OCC1(N)CC1)cc3ncc2)ccc45
InChi:	InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
Definition date:	2014-12-12
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide

V1F

V1F
Name:	3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide
Formula:	C21 H19 F3 N2 O4 S2
SMILES:	O=S(=O)(c2c(F)c(F)c(c(F)c2NCc1ccccc1)S(=O)(=O)N)CCc3ccccc3
InChi:	InChI=1S/C21H19F3N2O4S2/c22-16-17(23)21(31(27,28)12-11-14-7-3-1-4-8-14)19(18(24)20(16)32(25,29)30)26-13-15-9-5-2-6-10-15/h1-10,26H,11-13H2,(H2,25,29,30)
Definition date:	2014-06-19
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide

WDS

WDS
Name:	3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one
Formula:	C24 H28 N4 O2 S
SMILES:	O=C(c2cc3N=C(SCc1ncccc1)N(C(=O)c3cc2)CCCCC)N4CCCC4
InChi:	InChI=1S/C24H28N4O2S/c1-2-3-6-15-28-23(30)20-11-10-18(22(29)27-13-7-8-14-27)16-21(20)26-24(28)31-17-19-9-4-5-12-25-19/h4-5,9-12,16H,2-3,6-8,13-15,17H2,1H3
Definition date:	2014-09-18
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one

WDT

WDT
Name:	2-nitro-5-(phenylsulfonyl)phenol
Formula:	C12 H9 N O5 S
SMILES:	O=S(=O)(c1ccccc1)c2cc(O)c([N+]([O-])=O)cc2
InChi:	InChI=1S/C12H9NO5S/c14-12-8-10(6-7-11(12)13(15)16)19(17,18)9-4-2-1-3-5-9/h1-8,14H
Definition date:	2014-09-19
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	2-nitro-5-(phenylsulfonyl)phenol

WDU

WDU
Name:	4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide
Formula:	C11 H8 Cl2 N4 O3
SMILES:	Clc2c([N+]([O-])=O)nnc2C(=O)NCc1ccc(Cl)cc1
InChi:	InChI=1S/C11H8Cl2N4O3/c12-7-3-1-6(2-4-7)5-14-11(18)9-8(13)10(16-15-9)17(19)20/h1-4H,5H2,(H,14,18)(H,15,16)
Definition date:	2014-09-22
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide

WDV

WDV
Name:	4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
Formula:	C18 H18 F3 N3 O3
SMILES:	FC(F)(F)c3cc(N2CCN(Cc1c(O)ccc([N+]([O-])=O)c1)CC2)ccc3
InChi:	InChI=1S/C18H18F3N3O3/c19-18(20,21)14-2-1-3-15(11-14)23-8-6-22(7-9-23)12-13-10-16(24(26)27)4-5-17(13)25/h1-5,10-11,25H,6-9,12H2
Definition date:	2014-09-22
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol

WDW

WDW
Name:	3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone
Formula:	C15 H16 N2 O
SMILES:	O=C(c2cc1cc(ccc1n2)C)N3CC=CCC3
InChi:	InChI=1S/C15H16N2O/c1-11-5-6-13-12(9-11)10-14(16-13)15(18)17-7-3-2-4-8-17/h2-3,5-6,9-10,16H,4,7-8H2,1H3
Definition date:	2014-09-22
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone

WDX

WDX
Name:	[4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
Formula:	C17 H22 N2 O2
SMILES:	O=C(c2cc1cc(ccc1n2)C)N3CCC(CCO)CC3
InChi:	InChI=1S/C17H22N2O2/c1-12-2-3-15-14(10-12)11-16(18-15)17(21)19-7-4-13(5-8-19)6-9-20/h2-3,10-11,13,18,20H,4-9H2,1H3
Definition date:	2014-09-22
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	[4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone

WWO

WWO
Name:	3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Formula:	C15 H15 F3 N2 O5 S2
SMILES:	O=S(=O)(c2c(F)c(F)c(c(F)c2NCc1ccccc1)S(=O)(=O)N)CCO
InChi:	InChI=1S/C15H15F3N2O5S2/c16-10-11(17)15(26(22,23)7-6-21)13(12(18)14(10)27(19,24)25)20-8-9-4-2-1-3-5-9/h1-5,20-21H,6-8H2,(H2,19,24,25)
Definition date:	2014-06-19
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

43G

43G
Name:	1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one
Formula:	C17 H13 N O2
SMILES:	O=C3C=CN(c2cccc(c1ccccc1)c2)C=C3O
InChi:	InChI=1S/C17H13NO2/c19-16-9-10-18(12-17(16)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,20H
Definition date:	2015-01-26
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one

43H

43H
Name:	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
Formula:	C17 H14 B N O4
SMILES:	O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(O)O
InChi:	InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H
Definition date:	2015-01-26
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid

43J

43J
Name:	2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one
Formula:	C17 H14 N2 O2
SMILES:	O=C3C(O)=CN=C(c2cccc(c1ccccc1)c2)N3C
InChi:	InChI=1S/C17H14N2O2/c1-19-16(18-11-15(20)17(19)21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,20H,1H3
Definition date:	2015-01-26
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one

WWX

WWX
Name:	2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Formula:	C22 H21 F3 N2 O6 S2
SMILES:	O=S(=O)(c3c(F)c(F)c(c(F)c3NC(c1ccccc1)C(O)c2ccccc2)S(=O)(=O)N)CCO
InChi:	InChI=1S/C22H21F3N2O6S2/c23-15-16(24)22(34(30,31)12-11-28)19(17(25)21(15)35(26,32)33)27-18(13-7-3-1-4-8-13)20(29)14-9-5-2-6-10-14/h1-10,18,20,27-29H,11-12H2,(H2,26,32,33)/t18-,20+/m1/s1
Definition date:	2014-06-16
Last modified:	2015-04-10
Release date:	2015-04-15
Identifier:	2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

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